2-[4-oxidanylidene-3-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(6-isopropyl-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-[(6-propan-2-yl-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(6-isopropyl-1,3-benzothiazol-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(S2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C21H19N3O3S/c1-12(2)13-7-8-16-18(9-13)28-19(22-16)11-24-21(27)15-6-4-3-5-14(15)17(23-24)10-20(25)26/h3-9,12H,10-11H2,1-2H3,(H,25,26)